Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P0DMV8
UPID:
HS71A_HUMAN
Alternative names:
Heat shock 70 kDa protein 1
Alternative UPACC:
P0DMV8; B4E3B6; P08107; P19790; Q5JQI4; Q5SP17; Q9UQL9; Q9UQM0
Background:
Heat shock 70 kDa protein 1A plays a crucial role in cellular processes, including proteome protection, protein folding, and degradation. It functions through ATP binding and hydrolysis, mediated by co-chaperones, ensuring protein quality control. Its activity is regulated by nucleotide binding, with ATP-bound form having low substrate affinity, shifting upon ATP hydrolysis. Co-chaperones like HSP40s, BAG1/2/3, and HOPX/STUB1 specify its function towards folding or degradation.
Therapeutic significance:
Understanding the role of Heat shock 70 kDa protein 1A could open doors to potential therapeutic strategies.